N-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxybenzamide

C14H11BrFNO2 — CID 61299476

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxybenzamide
SMILESO=C(NCc1cc(Br)ccc1F)c1cccc(O)c1
InChIInChI=1S/C14H11BrFNO2/c15-11-4-5-13(16)10(6-11)8-17-14(19)9-2-1-3-12(18)7-9/h1-7,18H,8H2,(H,17,19)
InChIKeyLWHDJOQIUDIDFG-UHFFFAOYSA-N
MW324.15 g/mol
LogP3.22
Rot. Bonds3

About N-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxybenzamide

N-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxybenzamide (PubChem CID 61299476) has the molecular formula C14H11BrFNO2 and a molecular weight of 324.15 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxybenzamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxybenzamide
PubChem CID61299476
Molecular FormulaC14H11BrFNO2
Molecular Weight324.15 g/mol
Exact Mass323.00
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxybenzamide
SMILESO=C(NCc1cc(Br)ccc1F)c1cccc(O)c1
InChIInChI=1S/C14H11BrFNO2/c15-11-4-5-13(16)10(6-11)8-17-14(19)9-2-1-3-12(18)7-9/h1-7,18H,8H2,(H,17,19)
InChIKeyLWHDJOQIUDIDFG-UHFFFAOYSA-N
XLogP3.22
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.15
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]-4-fluorobenzamide
CID 46460791
N-[(5-bromo-2-fluorophenyl)methyl]-3-(propanoylamino)benzamide
CID 55829981
N-[(5-bromo-2-fluorophenyl)methyl]-4-chloro-3-fluorobenzamide
CID 107987901
3-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-5-fluorobenzamide
CID 63529302
N-[(5-bromo-2-fluorophenyl)methyl]-2,3-difluorobenzamide
CID 62650266
3-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-4-chlorobenzamide
CID 107999117
N-[(5-bromo-2-fluorophenyl)methyl]pyridine-4-carboxamide;hydrochloride
CID 110787157
N-[(5-bromo-2-fluorophenyl)methyl]-3-(tetrazol-1-yl)benzamide
CID 46460818
N-[(5-bromo-2-fluorophenyl)methyl]-5-iodothiophene-3-carboxamide
CID 78948922
N-[(5-bromo-2-fluorophenyl)methyl]-3-fluoro-4-methoxybenzamide
CID 60736763
N-[(5-bromo-2-fluorophenyl)methyl]pyridazine-4-carboxamide
CID 113264962
N-[(5-bromo-2-fluorophenyl)methyl]-6-fluoropyridine-2-carboxamide
CID 115497663

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxybenzamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxybenzamide (CID 61299476) is N-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxybenzamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxybenzamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxybenzamide is O=C(NCc1cc(Br)ccc1F)c1cccc(O)c1.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxybenzamide?
The InChIKey is LWHDJOQIUDIDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO2/c15-11-4-5-13(16)10(6-11)8-17-14(19)9-2-1-3-12(18)7-9/h1-7,18H,8H2,(H,17,19).
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxybenzamide?
N-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxybenzamide has a molecular weight of 324.15 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxybenzamide is sourced from PubChem (CID 61299476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).